9E36
Polaromonas naphthalenivorans phosphoenolpyruvate carboxykinase in complex with beta-sulfopyruvate and GTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE 7B2 |
| Synchrotron site | CHESS |
| Beamline | 7B2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-01 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.1271 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.523, 85.607, 113.799 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.500 - 1.800 |
| R-factor | 0.161 |
| Rwork | 0.160 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.885 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.500 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.277 | 1.949 |
| Rmeas | 0.288 | 2.025 |
| Rpim | 0.079 | 0.546 |
| Number of reflections | 62447 | 6058 |
| <I/σ(I)> | 4.6 | 1.1 |
| Completeness [%] | 99.8 | 97.9 |
| Redundancy | 13 | 13.3 |
| CC(1/2) | 0.989 | 0.757 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM TRIS-Cl pH 8.0, 0.4 M LiCl2, 5 mM MgCl2, 1 mM MnCl2, 30-40% PEG 8000, 10 mM beta-sulfopyruvate and 10 mM GTP. 15 mg/mL PnPEPCK |
